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Substance Name: Mandelic acid, alpha-(1-propynyl)-, 3-quinuclidinyl ester
RN: 101711-19-7
InChIKey: YCRGZXDHAYBAPE-UHFFFAOYSA-N

Molecular Formula

  • C18-H21-N-O3

Molecular Weight

  • 299.368
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(1-propynyl)glycolate A
  • 3-Quinuclidyl phenyl(1-propynyl)glycolate B

Systematic Name

  • Mandelic acid, alpha-(1-propynyl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101711-19-7

System Generated Number

  • 0101711197

Structure Descriptors

InChI

1S/C18H21NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h3-7,14,16,21H,8-9,11-13H2,1H3

InChIKey

YCRGZXDHAYBAPE-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(C#CC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11337,